Receptor
PDB id Resolution Class Description Source Keywords
2CB8 1.4 Å NON-ENZYME: BINDING HIGH RESOLUTION CRYSTAL STRUCTURE OF LIGANDED HUMAN L-ACBP HOMO SAPIENS ACYL-COENZYME A BINDING PROTEIN FATTY ACID ACETYLATION ALTERNATIVE SPLICING LIPID-BINDING TRANSPORT
Ref.: HIGH RESOLUTION CRYSTAL STRUCTURES OF UNLIGANDED AND LIGANDED HUMAN LIVER ACBP REVEAL A NEW MODE OF BINDING FOR THE ACYL-COA LIGAND. PROTEINS: STRUCT., FUNCT., V. 66 229 2007 BIOINF.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MXE B:1092;
Invalid;
none;
submit data
76.094 C3 H8 O2 COCCO
MYA B:1089;
Valid;
none;
Kd = 2.5 nM
977.89 C35 H62 N7 O17 P3 S CCCCC...
MYA ZN B:1088;
Invalid;
none;
submit data n/a n/a n/a n/a
MYA ZN ZN MYA ZN A:1088;
Invalid;
none;
submit data n/a n/a n/a n/a
SO4 A:1095;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
ZN A:1089;
A:1091;
A:1092;
B:1090;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CB8 1.4 Å NON-ENZYME: BINDING HIGH RESOLUTION CRYSTAL STRUCTURE OF LIGANDED HUMAN L-ACBP HOMO SAPIENS ACYL-COENZYME A BINDING PROTEIN FATTY ACID ACETYLATION ALTERNATIVE SPLICING LIPID-BINDING TRANSPORT
Ref.: HIGH RESOLUTION CRYSTAL STRUCTURES OF UNLIGANDED AND LIGANDED HUMAN LIVER ACBP REVEAL A NEW MODE OF BINDING FOR THE ACYL-COA LIGAND. PROTEINS: STRUCT., FUNCT., V. 66 229 2007 BIOINF.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2CB8 Kd = 2.5 nM MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2CB8 Kd = 2.5 nM MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2CB8 Kd = 2.5 nM MYA C35 H62 N7 O17 P3 S CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MYA; Similar ligands found: 133
No: Ligand ECFP6 Tc MDL keys Tc
1 DCC 1 1
2 ST9 1 1
3 5F9 1 1
4 MFK 1 1
5 UCC 1 1
6 MYA 1 1
7 CO8 0.992126 1
8 HXC 0.945736 1
9 BCO 0.877863 0.977528
10 YNC 0.876812 0.945055
11 HDC 0.862319 1
12 GRA 0.859259 0.955556
13 1HE 0.849624 0.956044
14 1VU 0.848485 0.988764
15 SCA 0.837037 0.955556
16 IVC 0.835821 0.966292
17 3HC 0.835821 0.966292
18 MRS 0.829787 1
19 MRR 0.829787 1
20 CS8 0.828571 0.988889
21 UOQ 0.822695 0.977778
22 NHM 0.822695 0.977778
23 NHW 0.822695 0.977778
24 MLC 0.822222 0.955556
25 0ET 0.821429 0.977778
26 8Z2 0.818182 0.988889
27 ACO 0.818182 0.988764
28 HGG 0.817518 0.955556
29 CAA 0.816176 0.966292
30 3KK 0.80597 0.977528
31 CAO 0.80303 0.923913
32 COS 0.80303 0.934066
33 OXK 0.8 0.955556
34 FAQ 0.798561 0.955556
35 CO6 0.794118 0.977528
36 0T1 0.793893 0.955056
37 2MC 0.788321 0.935484
38 TGC 0.787234 0.945055
39 FYN 0.779412 0.955056
40 DCA 0.778626 0.955056
41 MCA 0.776978 0.966667
42 COO 0.776978 0.955556
43 SOP 0.773723 0.955556
44 COK 0.773723 0.934066
45 MC4 0.771429 0.925532
46 COA MYR 0.770833 0.966667
47 PLM COA 0.770833 0.966667
48 COA PLM 0.770833 0.966667
49 CMC 0.768116 0.934066
50 COA 0.766917 0.955056
51 COW 0.765957 0.945055
52 IRC 0.765957 0.966292
53 1GZ 0.765957 0.945055
54 BYC 0.765957 0.955556
55 30N 0.762963 0.876289
56 AMX 0.762963 0.94382
57 CAJ 0.76259 0.955556
58 BCA 0.760563 0.945055
59 CMX 0.757353 0.933333
60 A1S 0.757143 0.955556
61 2NE 0.756944 0.934783
62 COF 0.753521 0.913979
63 3CP 0.753521 0.934066
64 ETB 0.75188 0.922222
65 2CP 0.746479 0.945055
66 HAX 0.746377 0.913043
67 1CZ 0.744828 0.945055
68 SCO 0.744526 0.933333
69 NMX 0.742857 0.865979
70 2KQ 0.741259 0.977778
71 FAM 0.73913 0.913043
72 FCX 0.73913 0.903226
73 SCD 0.737589 0.933333
74 4CA 0.736111 0.923913
75 MCD 0.735714 0.955556
76 CA6 0.735714 0.887755
77 WCA 0.72973 0.934783
78 4KX 0.724832 0.924731
79 CCQ 0.721088 0.935484
80 CIC 0.721088 0.934066
81 0FQ 0.716216 0.934066
82 4CO 0.716216 0.923913
83 DAK 0.715232 0.924731
84 UCA 0.7125 0.977778
85 01A 0.711409 0.894737
86 HFQ 0.708609 0.913979
87 1CV 0.706667 0.955556
88 CA8 0.705479 0.868687
89 YE1 0.703448 0.923077
90 1HA 0.703226 0.934783
91 NHQ 0.701299 0.944444
92 S0N 0.697987 0.913043
93 01K 0.687898 0.955556
94 CA3 0.675 0.934066
95 COT 0.672956 0.934066
96 CA5 0.664634 0.894737
97 CO7 0.657718 0.955556
98 93P 0.650602 0.923913
99 93M 0.641176 0.923913
100 COD 0.624114 0.94382
101 5TW 0.605556 0.93617
102 4BN 0.605556 0.93617
103 HMG 0.601266 0.923077
104 JBT 0.597826 0.916667
105 OXT 0.585635 0.93617
106 BSJ 0.548913 0.904255
107 191 0.524691 0.887755
108 PAP 0.515385 0.775281
109 RFC 0.49711 0.956044
110 SFC 0.49711 0.956044
111 ACE SER ASP ALY THR NH2 COA 0.484694 0.913043
112 PPS 0.481481 0.721649
113 A3P 0.469231 0.764045
114 1ZZ 0.468531 0.866667
115 0WD 0.467949 0.755319
116 OMR 0.45098 0.877778
117 S2N 0.443662 0.688889
118 PTJ 0.428571 0.833333
119 PUA 0.426829 0.784946
120 MYR AMP 0.425676 0.846154
121 3AM 0.423077 0.752809
122 MDE 0.419689 0.978022
123 A22 0.416667 0.777778
124 NA7 0.414966 0.820225
125 5SV 0.413793 0.853933
126 YLB 0.411392 0.888889
127 PAJ 0.410959 0.844444
128 ATR 0.407143 0.764045
129 WAQ 0.402685 0.822222
130 YLP 0.401274 0.888889
131 A2D 0.4 0.766667
132 3OD 0.4 0.788889
133 A2R 0.4 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CB8; Ligand: MYA; Similar sites found: 189
This union binding pocket(no: 1) in the query (biounit: 2cb8.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2RKN LP3 0.0006581 0.4801 None
2 1FCH TYR GLN SER LYS LEU 0.003548 0.45773 None
3 1NF8 BOG 0.002721 0.44702 None
4 4TTS 6DD 0.00759 0.43435 None
5 1HN4 MJI 0.04096 0.43099 None
6 4F4P 0SB 0.03467 0.43089 None
7 1OMZ UD2 0.008714 0.4273 None
8 2E2R 2OH 0.02196 0.4266 None
9 1N83 CLR 0.01449 0.42328 None
10 2EV1 OLA 0.01388 0.4222 None
11 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.02228 0.4217 None
12 3WV1 WHH 0.03216 0.42136 None
13 1JR8 FAD 0.01511 0.4205 None
14 2I0G I0G 0.04965 0.41829 None
15 3ANP DCC 0.02265 0.41817 None
16 1AOE GW3 0.03612 0.41692 None
17 3ANP DAO 0.02329 0.41337 None
18 3LLI FAD 0.02598 0.4133 None
19 4DE9 VTP 0.03034 0.41263 None
20 1UVC STE 0.02793 0.41197 None
21 1IG3 VIB 0.03152 0.41195 None
22 5U1M ACE LEU TYR ALA SER SER ASN PRO ALA PTR 0.02103 0.40812 None
23 1YYE 196 0.01677 0.40749 None
24 1NF3 GNP 0.03166 0.40558 None
25 3RV5 DXC 0.007906 0.40511 None
26 3OLL EST 0.02105 0.40427 None
27 3V49 PK0 0.03534 0.40387 None
28 5N8V KZZ 0.01706 0.40065 None
29 4IBF 1D5 0.00799 0.42367 2.29885
30 1PZO CBT 0.0272 0.42287 2.29885
31 1EWJ BLM 0.04549 0.40018 2.29885
32 4I4B NAD 0.01197 0.45989 3.44828
33 4I4B 1CV 0.005454 0.45989 3.44828
34 3EWK FAD 0.008946 0.42788 3.44828
35 4QTB 38Z 0.0187 0.41951 3.44828
36 1M4I KAN 0.0363 0.41293 3.44828
37 1M4I COA 0.0363 0.41293 3.44828
38 1M4I PAP 0.0363 0.41293 3.44828
39 4IS0 1R4 0.02147 0.41247 3.44828
40 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.03368 0.40922 3.44828
41 4OAR 2S0 0.02712 0.40299 3.44828
42 3IPQ 965 0.01245 0.43501 4.5977
43 1TV5 N8E 0.004539 0.4327 4.5977
44 2Q1H AS4 0.01433 0.41752 4.5977
45 1N46 PFA 0.02109 0.41715 4.5977
46 2GFD RDA 0.03155 0.40475 4.5977
47 3RDE OYP 0.03295 0.40239 4.5977
48 1U3D FAD 0.04477 0.40126 4.5977
49 4WO4 JLS 0.01938 0.43412 5.74713
50 2GJ3 FAD 0.009214 0.42854 5.74713
51 3O55 FAD 0.01474 0.42454 5.74713
52 3MBG FAD 0.01481 0.42446 5.74713
53 2Q2Y ADP 0.02986 0.42109 5.74713
54 2Q2Y MKR 0.02873 0.42109 5.74713
55 3IS2 FAD 0.02038 0.42068 5.74713
56 4MGD 27N 0.01146 0.41643 5.74713
57 3U5S FAD 0.01674 0.41615 5.74713
58 5LGA 6VH 0.03394 0.41522 5.74713
59 4TUZ 36J 0.01101 0.41512 5.74713
60 2QZO KN1 0.01615 0.41449 5.74713
61 2BJ4 OHT 0.01949 0.41194 5.74713
62 4MG8 27J 0.01413 0.4116 5.74713
63 4MGB XDH 0.01811 0.40997 5.74713
64 4MG7 27H 0.01862 0.40942 5.74713
65 4TV1 36M 0.01058 0.40835 5.74713
66 5KAX RHQ 0.005776 0.40751 5.74713
67 5E7V M7E 0.04111 0.40508 5.74713
68 3UUD EST 0.01931 0.40433 5.74713
69 5HYR EST 0.01952 0.40407 5.74713
70 3F3E LEU 0.01293 0.43995 6.89655
71 1M13 HYF 0.01366 0.43379 6.89655
72 3FAL LO2 0.01429 0.43274 6.89655
73 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.02792 0.4251 6.89655
74 4POJ 2VP 0.01374 0.42449 6.89655
75 4M8E 29V 0.01375 0.42279 6.89655
76 1NRL SRL 0.01338 0.42007 6.89655
77 3A0T ADP 0.01224 0.41863 6.89655
78 3FAL REA 0.01109 0.41709 6.89655
79 3PE2 E1B 0.04633 0.41385 6.89655
80 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.02463 0.40903 6.89655
81 1FBY REA 0.03057 0.40615 6.89655
82 4GU5 FAD 0.03689 0.40587 6.89655
83 3EE4 MYR 0.02676 0.40391 6.89655
84 4UHL VFV 0.02871 0.40388 6.89655
85 4IGH 1EA 0.0181 0.45245 8.04598
86 4IGH ORO 0.0181 0.45245 8.04598
87 4IGH FMN 0.0181 0.45245 8.04598
88 3TDC 0EU 0.008159 0.44536 8.04598
89 2WTX VDO 0.01327 0.43847 8.04598
90 2WTX UDP 0.0127 0.43847 8.04598
91 3KDU NKS 0.01569 0.43705 8.04598
92 3VRV YSD 0.02704 0.43134 8.04598
93 1K7L 544 0.01123 0.43108 8.04598
94 2FV5 541 0.0168 0.42711 8.04598
95 1ZDT PEF 0.0175 0.42313 8.04598
96 4QJR PIZ 0.01937 0.41949 8.04598
97 3SP6 IL2 0.01704 0.41278 8.04598
98 2P54 735 0.02563 0.41268 8.04598
99 4DM8 REA 0.02352 0.41033 8.04598
100 4GJ3 0XP 0.03892 0.40453 8.04598
101 4OAS 2SW 0.02026 0.4029 8.04598
102 5APJ 76E 0.009262 0.4403 9.1954
103 3WYJ H78 0.02978 0.43914 9.1954
104 1BUC CAA 0.008615 0.43635 9.1954
105 1YOK P6L 0.01584 0.43533 9.1954
106 1YMT DR9 0.01476 0.42868 9.1954
107 4B7P 9UN 0.02802 0.42736 9.1954
108 4L1F COS 0.0132 0.42508 9.1954
109 4ZBR DIF 0.02341 0.42232 9.1954
110 4Y2H SAH 0.04486 0.41065 9.1954
111 5APK 76E 0.03215 0.40992 9.1954
112 1YUC EPH 0.03356 0.40499 9.1954
113 4P6X HCY 0.03251 0.40029 9.1954
114 1N4H REA 0.003621 0.45272 10.3448
115 1NQ7 ARL 0.003896 0.44723 10.3448
116 3G9E RO7 0.01753 0.42932 10.3448
117 1FM9 9CR 0.01117 0.42456 10.3448
118 1FM9 570 0.01877 0.42402 10.3448
119 3KMZ EQO 0.02308 0.41566 10.3448
120 3T58 FAD 0.02773 0.41139 10.3448
121 2PRG BRL 0.01673 0.41071 10.3448
122 1DKF BMS 0.02517 0.40897 10.3448
123 3ET3 ET1 0.02227 0.40882 10.3448
124 3KMR EQN 0.0214 0.40802 10.3448
125 1H9G COA MYR 0.03252 0.40597 10.3448
126 3KJS NAP 0.0434 0.40365 10.3448
127 5IR4 ZPE 0.01644 0.43792 11.4943
128 2CFI ZZZ 0.002768 0.43753 11.4943
129 3QCP FAD 0.009173 0.43564 11.4943
130 1RL4 BL5 0.004972 0.42663 11.4943
131 1MZC BNE 0.03896 0.42393 11.4943
132 3AHQ FAD 0.01663 0.41824 11.4943
133 3LEO GSH 0.01448 0.4148 11.4943
134 4UCC ZKW 0.008595 0.43579 12.6437
135 5B4B LP5 0.01247 0.43225 12.6437
136 3RUU 37G 0.01778 0.42432 12.6437
137 3BEJ MUF 0.01425 0.4225 12.6437
138 3DCT 064 0.02116 0.41633 12.6437
139 1XVB 3BR 0.01 0.4145 12.6437
140 3ER9 3AT 0.01775 0.40871 12.6437
141 5K52 OCD 0.02376 0.40856 12.6437
142 2HJ3 FAD 0.0228 0.40822 12.6437
143 4O4K 2PK 0.02722 0.40765 12.6437
144 5WDR GNP 0.03628 0.40208 12.6437
145 5IDM ANP 0.02258 0.40187 12.6437
146 4QWT ACD 0.02417 0.41473 13.7931
147 1DB1 VDX 0.03409 0.41271 13.7931
148 1FCZ 156 0.02462 0.41082 13.7931
149 2LBD REA 0.03138 0.40635 13.7931
150 4PJT 2YQ 0.04386 0.40449 13.7931
151 1Z6T ADP 0.0242 0.40274 13.7931
152 3GN8 DEX 0.0294 0.40271 13.7931
153 3D9F FAD 0.01133 0.45597 14.9425
154 2HKJ RDC 0.006127 0.44865 14.9425
155 2J8C U10 0.0429 0.43005 14.9425
156 2J8C SPO 0.0429 0.43005 14.9425
157 5L2J 70E 0.04598 0.4283 14.9425
158 2P1C GG3 0.01527 0.42742 14.9425
159 4DXJ 0M9 0.01581 0.42711 14.9425
160 1YQZ FAD 0.04716 0.42462 14.9425
161 3NRR NAP 0.03183 0.42381 14.9425
162 5L7G 6QE 0.01493 0.42157 14.9425
163 3EEL 53T 0.0347 0.41887 14.9425
164 2A3I C0R 0.01685 0.41717 14.9425
165 4ELG 52I 0.005946 0.44878 16.092
166 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.01917 0.4364 16.092
167 4JZX 476 0.004847 0.43605 16.092
168 1RX0 2MC 0.01037 0.43293 16.092
169 4ELG 52J 0.01049 0.42893 16.092
170 1LTZ HBI 0.008787 0.41105 16.092
171 4ZOM 4Q3 0.004202 0.46885 17.2414
172 2E3N 6CM 0.02387 0.41805 17.2414
173 5NTW 98N 0.02581 0.41764 17.2414
174 3GWN FAD 0.01417 0.41752 17.2414
175 4RC8 STE 0.02114 0.41285 17.2414
176 4CDN FAD 0.02418 0.41422 18.3908
177 4LA7 A1O 0.03089 0.40553 19.5402
178 3L0E G58 0.009744 0.43677 20.6897
179 3KFC 61X 0.01627 0.43077 20.6897
180 4PFC 2QX 0.0294 0.40974 20.6897
181 1QZR ANP 0.03352 0.40372 20.6897
182 4HDO GNP 0.03885 0.40051 20.6897
183 4EHU ANP 0.01641 0.41668 21.8391
184 1OQC FAD 0.01294 0.42508 26.4368
185 4IA6 EIC 0.005106 0.40944 26.4368
186 3IWJ NAD 0.01701 0.40949 29.8851
187 2J1P GRG 0.02757 0.40588 31.0345
188 5AX9 4KT 0.01575 0.41 35.6322
189 1MO9 FAD 0.04242 0.4348 39.0805
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